2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide

C11H16N4O3S — CID 3653479

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
SMILESCOc1cc(OC)nc(SCC(=O)NN=C(C)C)n1
InChIInChI=1S/C11H16N4O3S/c1-7(2)14-15-8(16)6-19-11-12-9(17-3)5-10(13-11)18-4/h5H,6H2,1-4H3,(H,15,16)
InChIKeyXFWPNOOMYCGVLZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.10
Rot. Bonds6

About 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide

2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide (PubChem CID 3653479) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
PubChem CID3653479
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
SMILESCOc1cc(OC)nc(SCC(=O)NN=C(C)C)n1
InChIInChI=1S/C11H16N4O3S/c1-7(2)14-15-8(16)6-19-11-12-9(17-3)5-10(13-11)18-4/h5H,6H2,1-4H3,(H,15,16)
InChIKeyXFWPNOOMYCGVLZ-UHFFFAOYSA-N
XLogP1.10
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide (CID 3653479) is 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide is COc1cc(OC)nc(SCC(=O)NN=C(C)C)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide?
The InChIKey is XFWPNOOMYCGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7(2)14-15-8(16)6-19-11-12-9(17-3)5-10(13-11)18-4/h5H,6H2,1-4H3,(H,15,16).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide?
2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide has a molecular weight of 284.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 3653479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).